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| Reaction Details | |||
|---|---|---|---|
 | Report a problem with these data | ||
| Target | Choline/ethanolamine kinase | ||
| Ligand | BDBM50579760 | ||
| Substrate/Competitor | n/a | ||
| Meas. Tech. | ChEMBL_2145376 (CHEMBL5029656) | ||
| IC50 | >10000±n/a nM | ||
| Citation |  Quartieri, F; Nesi, M; Avanzi, NR; Borghi, D; Casale, E; Corti, E; Cucchi, U; Donati, D; Fasolini, M; Felder, ER; Galvani, A; Giorgini, ML; Lomolino, A; Menichincheri, M; Orrenius, C; Perrera, C; Re Depaolini, S; Riccardi-Sirtori, F; Salsi, E; Isacchi, A; Gnocchi, P Identification of unprecedented ATP-competitive choline kinase inhibitors. Bioorg Med Chem Lett51:0 (2021) [PubMed] Article | ||
| More Info.: | Get all data from this article, Assay Method | ||
| Choline/ethanolamine kinase | |||
| Name: | Choline/ethanolamine kinase | ||
| Synonyms: | CHETK | CHKB | CHKB_HUMAN | CHKL | CK | CKB | CKEKB | Choline kinase beta | Choline kinase-like protein | EK | EKB | Ethanolamine kinase | Ethanolamine kinase beta | choline/ethanolamine kinase beta | ||
| Type: | PROTEIN | ||
| Mol. Mass.: | 45262.79 | ||
| Organism: | Homo sapiens (Human) | ||
| Description: | ChEMBL_108033 | ||
| Residue: | 395 | ||
| Sequence: |
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| BDBM50579760 | |||
| n/a | |||
| Name | BDBM50579760 | ||
| Synonyms: | CHEMBL5085340 | ||
| Type | Small organic molecule | ||
| Emp. Form. | C15H17ClN8OS | ||
| Mol. Mass. | 392.866 | ||
| SMILES | Cc1nnc(NC(=O)[C@H]2CC[C@H](CC2)n2cnc3c(N)nc(Cl)nc23)s1 |r,wU:11.14,8.7,(65.22,-29.75,;66.73,-30.08,;67.88,-29.06,;69.21,-29.83,;68.89,-31.35,;69.91,-32.5,;71.42,-32.18,;72.44,-33.33,;71.9,-30.72,;70.88,-29.57,;71.36,-28.11,;72.86,-27.8,;73.9,-28.94,;73.41,-30.41,;73.34,-26.34,;72.44,-25.09,;73.35,-23.85,;74.81,-24.33,;76.14,-23.55,;76.13,-22.01,;77.47,-24.32,;77.48,-25.87,;78.81,-26.63,;76.14,-26.64,;74.81,-25.87,;67.35,-31.49,)| | ||
| Structure | 
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